Data Analytics, Statistics, Chemometrics, and Artificial Intelligence

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Battling the fentanyl crisis using ATR FT-IR and machine learning © Tahorima - stock.adobe.com

Researchers have successfully demonstrated that human nails can serve as a reliable biological matrix for detecting fentanyl use. By combining attenuated total reflectance-Fourier transform infrared (ATR FT-IR) spectroscopy with machine learning, the study achieved over 80% accuracy in distinguishing fentanyl users from non-users. These findings highlight a promising, noninvasive method for toxicological and forensic analysis.

AI-powered Raman spectroscopy method for rapid drug detection in blood © angellodeco - stock.adobe.com

Scientists from China and Finland have developed an advanced method for detecting cardiovascular drugs in blood using surface-enhanced Raman spectroscopy (SERS) and artificial intelligence (AI). This innovative approach, which employs "molecular hooks" to selectively capture drug molecules, enables rapid and precise analysis, offering a potential advance for real-time clinical diagnostics.

Woman testing glucose level with traditional glucose monitor © Andrey Popov - stock.adobe.com

A research team is claiming significantly enhanced accuracy of non-invasive blood-glucose testing by upgrading Fourier transform infrared spectroscopy (FT-IR) with multiple-reflections, quantum cascade lasers, two-dimensional correlation spectroscopy, and machine learning. The study, published in Spectrochimica Acta Part A, reports achieving a record-breaking 98.8% accuracy, surpassing previous benchmarks for non-invasive glucose detection.

Highlighting artificial intelligence and data analysis applications © Gophotograph - stock.adobe.com

Over the past two years Spectroscopy Magazine has increased our coverage of artificial intelligence (AI), deep learning (DL), and machine learning (ML) and the mathematical approaches relevant to the AI topic. In this article we summarize AI coverage and provide the reference links for a series of selected articles specifically examining these subjects. The resources highlighted in this overview article include those from the Analytically Speaking podcasts, the Chemometrics in Spectroscopy column, and various feature articles and news stories published in Spectroscopy. Here, we provide active links to each of the full articles or podcasts resident on the Spectroscopy website.

Courtroom in session ©  Kamonwan - stock.adobe.com

A review by researchers from Curtin University comprehensively explores how chemometrics can revolutionize forensic science by offering objective and statistically validated methods to interpret evidence. The chemometrics approach seeks to enhance the accuracy and reliability of forensic analyses, mitigating human bias and improving courtroom confidence in forensic conclusions.